Polaronexcitons and electronvibrational band shapes in conjugated polymers
J. Chem. Phys. 118, 4291 (2003); doi:10.1063/1.1543938
Issue Date: 1 March 2003
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The neutral excitations in poly(p-phenylenevinylene) are studied in conjunction with the vibronic structure of the lowest optical transitions. Combining the configuration interaction of Wannier-localized electronhole pairs with an empirical description of electronphonon coupling, we obtain the potential energy surfaces of monoexcited states and the Condon electronvibrational spectra in absorption and emission. The S1
S0 luminescence band shape is found compatible with self-localization of S1 within about 10 monomers, driven exclusively by electronphonon coupling. The singlet and triplet polaronexcitons are exchangesplit by about 1 eV and differ substantially in terms of average electronhole separation. ©2003 American Institute of Physics.
S0 luminescence band shape is found compatible with self-localization of S1 within about 10 monomers, driven exclusively by electronphonon coupling. The singlet and triplet polaronexcitons are exchangesplit by about 1 eV and differ substantially in terms of average electronhole separation. ©2003 American Institute of Physics.
| History: | Received 30 September 2002; accepted 13 December 2002 |
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